N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine

C14H25NO — CID 56792218

IUPACN-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine
SMILESC#CCN(CCCCOC)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-3-11-15(12-7-8-13-16-2)14-9-5-4-6-10-14/h1,14H,4-13H2,2H3
InChIKeyMFXQPVQLXLXVHO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.68
Rot. Bonds7

About N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine

N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine (PubChem CID 56792218) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine
PubChem CID56792218
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine
SMILESC#CCN(CCCCOC)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-3-11-15(12-7-8-13-16-2)14-9-5-4-6-10-14/h1,14H,4-13H2,2H3
InChIKeyMFXQPVQLXLXVHO-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
CID 104647778
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
methyl 2-[cyclopentyl(pent-4-ynyl)amino]acetate
CID 112548457
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
2-[cyclopentyl(pentyl)amino]acetonitrile
CID 62048934
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
3-methoxypropoxycyclooctane
CID 68608033

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine?
The IUPAC name of N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine (CID 56792218) is N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine.
What is the SMILES notation for N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine?
The canonical SMILES for N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine is C#CCN(CCCCOC)C1CCCCC1.
What is the InChIKey of N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine?
The InChIKey is MFXQPVQLXLXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-11-15(12-7-8-13-16-2)14-9-5-4-6-10-14/h1,14H,4-13H2,2H3.
What are the key properties of N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine?
N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine has a molecular weight of 223.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-prop-2-ynylcyclohexanamine is sourced from PubChem (CID 56792218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).