N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine

C17H33N — CID 55197381

IUPACN-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33N/c1-5-10-17(13-18-15-6-7-15)11-8-14(9-12-17)16(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyUKIZRDHDVNFYTQ-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds5

About N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine

N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine (PubChem CID 55197381) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
PubChem CID55197381
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33N/c1-5-10-17(13-18-15-6-7-15)11-8-14(9-12-17)16(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyUKIZRDHDVNFYTQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine (CID 55197381) is N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine is CCCC1(CNC2CC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is UKIZRDHDVNFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-5-10-17(13-18-15-6-7-15)11-8-14(9-12-17)16(2,3)4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine?
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 55197381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).