1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine

C14H30N2 — CID 103562597

IUPAC1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCCCN(C)C1(CN)CC(C(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-8-16(4)14(11-15)9-13(10-14)12(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyQIFVVCZHNGIQQN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds7

About 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine

1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562597) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562597
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCCCCN(C)C1(CN)CC(C(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-8-16(4)14(11-15)9-13(10-14)12(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyQIFVVCZHNGIQQN-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
1-(aminomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563172
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103562916
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 103562769

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine (CID 103562597) is 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine is CCCCCN(C)C1(CN)CC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is QIFVVCZHNGIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-8-16(4)14(11-15)9-13(10-14)12(2)3/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine?
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).