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

C16H33NO — CID 55192110

IUPACN-[(1-pentoxycycloheptyl)methyl]propan-1-amine
SMILESCCCCCOC1(CNCCC)CCCCCC1
InChIInChI=1S/C16H33NO/c1-3-5-10-14-18-16(15-17-13-4-2)11-8-6-7-9-12-16/h17H,3-15H2,1-2H3
InChIKeyAYNQEQKWRYKMNZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.29
Rot. Bonds9

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

N-[(1-pentoxycycloheptyl)methyl]propan-1-amine (PubChem CID 55192110) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[(1-pentoxycycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pentoxycycloheptyl)methyl]propan-1-amine
PubChem CID55192110
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[(1-pentoxycycloheptyl)methyl]propan-1-amine
SMILESCCCCCOC1(CNCCC)CCCCCC1
InChIInChI=1S/C16H33NO/c1-3-5-10-14-18-16(15-17-13-4-2)11-8-6-7-9-12-16/h17H,3-15H2,1-2H3
InChIKeyAYNQEQKWRYKMNZ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.29
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-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102723011
N-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentoxycycloheptyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pentoxycycloheptyl)methyl]propan-1-amine (CID 55192110) is N-[(1-pentoxycycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pentoxycycloheptyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pentoxycycloheptyl)methyl]propan-1-amine is CCCCCOC1(CNCCC)CCCCCC1.
What is the InChIKey of N-[(1-pentoxycycloheptyl)methyl]propan-1-amine?
The InChIKey is AYNQEQKWRYKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-10-14-18-16(15-17-13-4-2)11-8-6-7-9-12-16/h17H,3-15H2,1-2H3.
What are the key properties of N-[(1-pentoxycycloheptyl)methyl]propan-1-amine?
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentoxycycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 55192110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).