N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine

C17H30N2O — CID 131898425

IUPACN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine
SMILESCCC#CCN(C)CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N2O/c1-3-4-8-11-18(2)16-17(9-6-5-7-10-17)19-12-14-20-15-13-19/h3,5-7,9-16H2,1-2H3
InChIKeyKIGAWRHGKBLEOQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine

N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine (PubChem CID 131898425) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine
PubChem CID131898425
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine
SMILESCCC#CCN(C)CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N2O/c1-3-4-8-11-18(2)16-17(9-6-5-7-10-17)19-12-14-20-15-13-19/h3,5-7,9-16H2,1-2H3
InChIKeyKIGAWRHGKBLEOQ-UHFFFAOYSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-(Morpholin-4-yl)cyclohexyl)methanamine
CID 3157486
1-(Morpholin-4-ylmethyl)cyclohexanamine
CID 6484225
Tert-butyl-dimethyl-[2-(1-morpholin-4-ylcyclohexyl)ethynyl]silane
CID 71479653
4-(1-Hex-1-ynylcyclohexyl)morpholine
CID 135042994
1-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,4-diazaspiro[5.5]undecane
CID 121533636
4-(1-Methylcyclohexyl)morpholine
CID 20328106
4-(1,2,2-Triethylpiperidin-3-yl)morpholine
CID 24748230
N-Methyl-1-(1-morpholin-4-ylcyclohexyl)methanamine
CID 45791007
CID 58998088
CID 58998088
CID 59009310
CID 59009310
4-(1-Propylcyclohexyl)morpholine
CID 68303055
4-(1-Ethylcyclohexyl)morpholine
CID 89666591

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine?
The IUPAC name of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine (CID 131898425) is N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine?
The canonical SMILES for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine is CCC#CCN(C)CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine?
The InChIKey is KIGAWRHGKBLEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-4-8-11-18(2)16-17(9-6-5-7-10-17)19-12-14-20-15-13-19/h3,5-7,9-16H2,1-2H3.
What are the key properties of N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine?
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pent-2-yn-1-amine is sourced from PubChem (CID 131898425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).