N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine

C17H34N2 — CID 106040859

IUPACN'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H34N2/c1-13(2)19(6)11-7-10-18-15-16(3,4)14-8-9-17(15,5)12-14/h13-15,18H,7-12H2,1-6H3
InChIKeyAHCQAGFTZQYMAH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds6

About N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine (PubChem CID 106040859) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
PubChem CID106040859
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H34N2/c1-13(2)19(6)11-7-10-18-15-16(3,4)14-8-9-17(15,5)12-14/h13-15,18H,7-12H2,1-6H3
InChIKeyAHCQAGFTZQYMAH-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hexane-1,6-diamine
CID 90670987
N,1,7,7-Tetramethylbicyclo[2.2.1]heptan-2-amine
CID 31142
2-Norbornanamine, N,3,3-trimethyl-
CID 3021748
N,N'-bis[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]heptane-1,7-diamine
CID 90670988
N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine
CID 15226436
N,3-dimethylbicyclo[2.2.1]heptan-2-amine
CID 56157
2-Bornanamine, N,N-dimethyl-, hydrochloride, endo-(+-)-
CID 31086
(+-)-endo-N-Methyl-2-bornanamine hydrochloride
CID 31141
Acetonitrile, (2-bornylamino)-, hydrochloride, endo-(+-)-
CID 32527
2-Norbornanamine, 3,3-dimethyl-N-ethyl-, hydrochloride
CID 56223
2-Norbornanamine, 3,3-dimethyl-N-propyl-, hydrochloride
CID 56284
2-Norbornanamine, N-butyl-3,3-dimethyl-, hydrochloride
CID 56317

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine (CID 106040859) is N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine is CC(C)N(C)CCCNC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
The InChIKey is AHCQAGFTZQYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)19(6)11-7-10-18-15-16(3,4)14-8-9-17(15,5)12-14/h13-15,18H,7-12H2,1-6H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine is sourced from PubChem (CID 106040859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).