N-[(1-pentoxycyclopentyl)methyl]propan-1-amine

C14H29NO — CID 62110733

IUPACN-[(1-pentoxycyclopentyl)methyl]propan-1-amine
SMILESCCCCCOC1(CNCCC)CCCC1
InChIInChI=1S/C14H29NO/c1-3-5-8-12-16-14(9-6-7-10-14)13-15-11-4-2/h15H,3-13H2,1-2H3
InChIKeyYFZGTGIRQKMBJJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.51
Rot. Bonds9

About N-[(1-pentoxycyclopentyl)methyl]propan-1-amine

N-[(1-pentoxycyclopentyl)methyl]propan-1-amine (PubChem CID 62110733) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(1-pentoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pentoxycyclopentyl)methyl]propan-1-amine
PubChem CID62110733
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(1-pentoxycyclopentyl)methyl]propan-1-amine
SMILESCCCCCOC1(CNCCC)CCCC1
InChIInChI=1S/C14H29NO/c1-3-5-8-12-16-14(9-6-7-10-14)13-15-11-4-2/h15H,3-13H2,1-2H3
InChIKeyYFZGTGIRQKMBJJ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.51
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

N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102723011

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pentoxycyclopentyl)methyl]propan-1-amine (CID 62110733) is N-[(1-pentoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pentoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pentoxycyclopentyl)methyl]propan-1-amine is CCCCCOC1(CNCCC)CCCC1.
What is the InChIKey of N-[(1-pentoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is YFZGTGIRQKMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-8-12-16-14(9-6-7-10-14)13-15-11-4-2/h15H,3-13H2,1-2H3.
What are the key properties of N-[(1-pentoxycyclopentyl)methyl]propan-1-amine?
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 62110733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).