1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine

C17H30N4O — CID 50982967

IUPAC1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N4O/c1-16(13-20-8-7-18-15-20)19-14-17(5-3-2-4-6-17)21-9-11-22-12-10-21/h7-8,15-16,19H,2-6,9-14H2,1H3
InChIKeySXFAXHMPAVPNLN-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.90
Rot. Bonds6

About 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine (PubChem CID 50982967) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine
PubChem CID50982967
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N4O/c1-16(13-20-8-7-18-15-20)19-14-17(5-3-2-4-6-17)21-9-11-22-12-10-21/h7-8,15-16,19H,2-6,9-14H2,1H3
InChIKeySXFAXHMPAVPNLN-UHFFFAOYSA-N
XLogP1.90
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine (CID 50982967) is 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine is CC(Cn1ccnc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine?
The InChIKey is SXFAXHMPAVPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-16(13-20-8-7-18-15-20)19-14-17(5-3-2-4-6-17)21-9-11-22-12-10-21/h7-8,15-16,19H,2-6,9-14H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 50982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).