N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine

C17H35NO — CID 63473518

IUPACN-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)(OC(C)CC)CC1
InChIInChI=1S/C17H35NO/c1-6-8-16-9-11-17(12-10-16,13-18-14(3)4)19-15(5)7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyPBSSYYNCMGIQLQ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds8

About N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine

N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine (PubChem CID 63473518) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
PubChem CID63473518
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)(OC(C)CC)CC1
InChIInChI=1S/C17H35NO/c1-6-8-16-9-11-17(12-10-16,13-18-14(3)4)19-15(5)7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyPBSSYYNCMGIQLQ-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 55194013
N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 63473886
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
CID 62106260
N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 62107163
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62106956
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 62108397
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 82007464
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine (CID 63473518) is N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine is CCCC1CCC(CNC(C)C)(OC(C)CC)CC1.
What is the InChIKey of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine?
The InChIKey is PBSSYYNCMGIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-8-16-9-11-17(12-10-16,13-18-14(3)4)19-15(5)7-2/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine?
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 63473518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).