N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine

C18H36N2 — CID 115400247

IUPACN',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
SMILESCC(C)N(CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2)C(C)C
InChIInChI=1S/C18H36N2/c1-13(2)20(14(3)4)11-10-19-16-17(5,6)15-8-9-18(16,7)12-15/h13-16,19H,8-12H2,1-7H3/t15-,16?,18+/m0/s1
InChIKeyBGKNSDZQCMELBD-NANQTSIFSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds6

About N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine (PubChem CID 115400247) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
PubChem CID115400247
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
SMILESCC(C)N(CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2)C(C)C
InChIInChI=1S/C18H36N2/c1-13(2)20(14(3)4)11-10-19-16-17(5,6)15-8-9-18(16,7)12-15/h13-16,19H,8-12H2,1-7H3/t15-,16?,18+/m0/s1
InChIKeyBGKNSDZQCMELBD-NANQTSIFSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040859
N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide
CID 106335983
(1R,4S)-1,3,3-trimethyl-N-(3-propan-2-yloxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 113302687
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
N-(2-tert-butylsulfonylethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103902212
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
N-(2,4-dimethylpentyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114200148
N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
CID 103894738
tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
CID 107245182
(1R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113302658
N-(3-ethylsulfanylpropyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113473531
(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 115400409

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine (CID 115400247) is N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine is CC(C)N(CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine?
The InChIKey is BGKNSDZQCMELBD-NANQTSIFSA-N. The full InChI is InChI=1S/C18H36N2/c1-13(2)20(14(3)4)11-10-19-16-17(5,6)15-8-9-18(16,7)12-15/h13-16,19H,8-12H2,1-7H3/t15-,16?,18+/m0/s1.
What are the key properties of N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine is sourced from PubChem (CID 115400247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).