N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C16H32N2 — CID 79554173

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CC2CCC1C2)C(C)C
InChIInChI=1S/C16H32N2/c1-12(2)18(13(3)4)8-7-17-11-16-10-14-5-6-15(16)9-14/h12-17H,5-11H2,1-4H3
InChIKeyFFDNYFIULPHHOF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 79554173) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID79554173
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CC2CCC1C2)C(C)C
InChIInChI=1S/C16H32N2/c1-12(2)18(13(3)4)8-7-17-11-16-10-14-5-6-15(16)9-14/h12-17H,5-11H2,1-4H3
InChIKeyFFDNYFIULPHHOF-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
CID 63683685
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
CID 104694066
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine
CID 104694128

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 79554173) is N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCC1CC2CCC1C2)C(C)C.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is FFDNYFIULPHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)18(13(3)4)8-7-17-11-16-10-14-5-6-15(16)9-14/h12-17H,5-11H2,1-4H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79554173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).