1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine

C13H28N2 — CID 65089340

IUPAC1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
SMILESCCNC1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-4-15-13(10-14)8-5-6-12(7-9-13)11(2)3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyVHEOMSGDGCPMJN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds4

About 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine

1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65089340) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
PubChem CID65089340
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
SMILESCCNC1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-4-15-13(10-14)8-5-6-12(7-9-13)11(2)3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyVHEOMSGDGCPMJN-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
CID 65383023
2-[1-(ethylamino)-4-propan-2-ylcycloheptyl]ethanol
CID 65234410
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
CID 113465530
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449241

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine (CID 65089340) is 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine is CCNC1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is VHEOMSGDGCPMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-15-13(10-14)8-5-6-12(7-9-13)11(2)3/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65089340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).