N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine

C15H29N — CID 79552439

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCC1CC2CCC1C2
InChIInChI=1S/C15H29N/c1-4-11(2)7-12(3)16-10-15-9-13-5-6-14(15)8-13/h11-16H,4-10H2,1-3H3
InChIKeyQTUOVONNWXCCKM-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine (PubChem CID 79552439) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
PubChem CID79552439
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCC1CC2CCC1C2
InChIInChI=1S/C15H29N/c1-4-11(2)7-12(3)16-10-15-9-13-5-6-14(15)8-13/h11-16H,4-10H2,1-3H3
InChIKeyQTUOVONNWXCCKM-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 79555022
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938569
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
CID 104694131
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfanylbutan-2-amine
CID 104694116
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
CID 77027648
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylsulfanylbutan-1-ol
CID 104694028

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine (CID 79552439) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine is CCC(C)CC(C)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine?
The InChIKey is QTUOVONNWXCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-11(2)7-12(3)16-10-15-9-13-5-6-14(15)8-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine is sourced from PubChem (CID 79552439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).