4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine

C14H28N2O — CID 65079226

IUPAC4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
SMILESCN(CC1CCCC1)C1(CN)CCCOCC1
InChIInChI=1S/C14H28N2O/c1-16(11-13-5-2-3-6-13)14(12-15)7-4-9-17-10-8-14/h13H,2-12,15H2,1H3
InChIKeyFFNZMCLYEDFPQS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.01
Rot. Bonds4

About 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine

4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine (PubChem CID 65079226) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
PubChem CID65079226
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
SMILESCN(CC1CCCC1)C1(CN)CCCOCC1
InChIInChI=1S/C14H28N2O/c1-16(11-13-5-2-3-6-13)14(12-15)7-4-9-17-10-8-14/h13H,2-12,15H2,1H3
InChIKeyFFNZMCLYEDFPQS-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
CID 63726971
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
1-(aminomethyl)-N,3-dimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 64500110

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine (CID 65079226) is 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine is CN(CC1CCCC1)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine?
The InChIKey is FFNZMCLYEDFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(11-13-5-2-3-6-13)14(12-15)7-4-9-17-10-8-14/h13H,2-12,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine?
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine is sourced from PubChem (CID 65079226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).