ethane;1-methyl-N-pentylcyclobutan-1-amine

C12H27N — CID 164868131

IUPACethane;1-methyl-N-pentylcyclobutan-1-amine
SMILESCC.CCCCCNC1(C)CCC1
InChIInChI=1S/C10H21N.C2H6/c1-3-4-5-9-11-10(2)7-6-8-10;1-2/h11H,3-9H2,1-2H3;1-2H3
InChIKeyXWYWZPUOZRDPLN-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.73
Rot. Bonds5

About ethane;1-methyl-N-pentylcyclobutan-1-amine

ethane;1-methyl-N-pentylcyclobutan-1-amine (PubChem CID 164868131) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;1-methyl-N-pentylcyclobutan-1-amine.

Molecular Properties

Compound Nameethane;1-methyl-N-pentylcyclobutan-1-amine
PubChem CID164868131
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;1-methyl-N-pentylcyclobutan-1-amine
SMILESCC.CCCCCNC1(C)CCC1
InChIInChI=1S/C10H21N.C2H6/c1-3-4-5-9-11-10(2)7-6-8-10;1-2/h11H,3-9H2,1-2H3;1-2H3
InChIKeyXWYWZPUOZRDPLN-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-pentylcyclopentan-1-amine
CID 61365384
N-decyl-1-methylcyclohexan-1-amine
CID 63491392
N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine
CID 62835794
ethane;N-ethyl-1-methylcyclobutan-1-amine
CID 177037581
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
N-hept-6-enyl-1-methylcyclopentan-1-amine
CID 107006665
tert-butyl 4-(heptylamino)-4-methylpiperidine-1-carboxylate
CID 107254416
N'-butyl-N-(5-tert-butyl-1-methylcyclononyl)-N'-methylbutane-1,4-diamine
CID 156578109
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
N'-hydroxy-5-[(1-methylcyclopentyl)amino]pentanimidamide
CID 77030789
1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
3-[(1-methylcyclopentyl)amino]propane-1-sulfinic acid
CID 142978231

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-pentylcyclobutan-1-amine?
The IUPAC name of ethane;1-methyl-N-pentylcyclobutan-1-amine (CID 164868131) is ethane;1-methyl-N-pentylcyclobutan-1-amine.
What is the SMILES notation for ethane;1-methyl-N-pentylcyclobutan-1-amine?
The canonical SMILES for ethane;1-methyl-N-pentylcyclobutan-1-amine is CC.CCCCCNC1(C)CCC1.
What is the InChIKey of ethane;1-methyl-N-pentylcyclobutan-1-amine?
The InChIKey is XWYWZPUOZRDPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-3-4-5-9-11-10(2)7-6-8-10;1-2/h11H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-N-pentylcyclobutan-1-amine?
ethane;1-methyl-N-pentylcyclobutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-pentylcyclobutan-1-amine is sourced from PubChem (CID 164868131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).