2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine

C17H34N2 — CID 55231633

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CC)C(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H34N2/c1-5-9-18-17(6-2)13(3)19(4)12-16-11-14-7-8-15(16)10-14/h13-18H,5-12H2,1-4H3
InChIKeyLOTOGBUWNUABPN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds8

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine (PubChem CID 55231633) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
PubChem CID55231633
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CC)C(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H34N2/c1-5-9-18-17(6-2)13(3)19(4)12-16-11-14-7-8-15(16)10-14/h13-18H,5-12H2,1-4H3
InChIKeyLOTOGBUWNUABPN-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine with MolForge

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Related Compounds

2-N-(cyclopentylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 63631407
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63682556
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
CID 63683037
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine (CID 55231633) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine is CCCNC(CC)C(C)N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine?
The InChIKey is LOTOGBUWNUABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-9-18-17(6-2)13(3)19(4)12-16-11-14-7-8-15(16)10-14/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine is sourced from PubChem (CID 55231633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).