N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine

C14H25N — CID 115401436

IUPACN-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
SMILESCC12CCC(C1)C(C)(C)C2CNC1CC1
InChIInChI=1S/C14H25N/c1-13(2)10-6-7-14(3,8-10)12(13)9-15-11-4-5-11/h10-12,15H,4-9H2,1-3H3
InChIKeyKCCUYLXMYRWTGR-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds3

About N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine

N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine (PubChem CID 115401436) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
PubChem CID115401436
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
SMILESCC12CCC(C1)C(C)(C)C2CNC1CC1
InChIInChI=1S/C14H25N/c1-13(2)10-6-7-14(3,8-10)12(13)9-15-11-4-5-11/h10-12,15H,4-9H2,1-3H3
InChIKeyKCCUYLXMYRWTGR-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 14365455
1,3,3-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane
CID 173187277
4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352031
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 62713154
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
3-nitroso-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one
CID 14365458
[1-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81418548

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine (CID 115401436) is N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine is CC12CCC(C1)C(C)(C)C2CNC1CC1.
What is the InChIKey of N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
The InChIKey is KCCUYLXMYRWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-13(2)10-6-7-14(3,8-10)12(13)9-15-11-4-5-11/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine?
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine is sourced from PubChem (CID 115401436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).