N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine

C18H29N3O — CID 46981823

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESC1=CCC(CN(CCCn2ccnc2)CC2CCOC2)CC1
InChIInChI=1S/C18H29N3O/c1-2-5-17(6-3-1)13-21(14-18-7-12-22-15-18)10-4-9-20-11-8-19-16-20/h1-2,8,11,16-18H,3-7,9-10,12-15H2
InChIKeyDZPFJFPBSKJTJZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.97
Rot. Bonds8

About N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 46981823) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID46981823
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESC1=CCC(CN(CCCn2ccnc2)CC2CCOC2)CC1
InChIInChI=1S/C18H29N3O/c1-2-5-17(6-3-1)13-21(14-18-7-12-22-15-18)10-4-9-20-11-8-19-16-20/h1-2,8,11,16-18H,3-7,9-10,12-15H2
InChIKeyDZPFJFPBSKJTJZ-UHFFFAOYSA-N
XLogP2.97
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine (CID 46981823) is N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine is C1=CCC(CN(CCCn2ccnc2)CC2CCOC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is DZPFJFPBSKJTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-5-17(6-3-1)13-21(14-18-7-12-22-15-18)10-4-9-20-11-8-19-16-20/h1-2,8,11,16-18H,3-7,9-10,12-15H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-imidazol-1-yl-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 46981823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).