1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine

C14H28N2 — CID 65383023

IUPAC1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
SMILESC=CCNC1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C14H28N2/c1-4-10-16-14(11-15)8-5-6-13(7-9-14)12(2)3/h4,12-13,16H,1,5-11,15H2,2-3H3
InChIKeyIOHQGQMJLBHKOQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.70
Rot. Bonds5

About 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine

1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine (PubChem CID 65383023) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
PubChem CID65383023
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
SMILESC=CCNC1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C14H28N2/c1-4-10-16-14(11-15)8-5-6-13(7-9-14)12(2)3/h4,12-13,16H,1,5-11,15H2,2-3H3
InChIKeyIOHQGQMJLBHKOQ-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
CID 113465530
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
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-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
CID 4712374
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine (CID 65383023) is 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine is C=CCNC1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine?
The InChIKey is IOHQGQMJLBHKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-10-16-14(11-15)8-5-6-13(7-9-14)12(2)3/h4,12-13,16H,1,5-11,15H2,2-3H3.
What are the key properties of 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine?
1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine is sourced from PubChem (CID 65383023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).