N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine

C16H31NO — CID 170569658

IUPACN-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine
SMILESC=C(CCC1CCC(OC(C)C)CC1)NC(C)C
InChIInChI=1S/C16H31NO/c1-12(2)17-14(5)6-7-15-8-10-16(11-9-15)18-13(3)4/h12-13,15-17H,5-11H2,1-4H3
InChIKeyMKPUDZZCMURMSO-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.26
Rot. Bonds7

About N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine

N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine (PubChem CID 170569658) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine
PubChem CID170569658
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine
SMILESC=C(CCC1CCC(OC(C)C)CC1)NC(C)C
InChIInChI=1S/C16H31NO/c1-12(2)17-14(5)6-7-15-8-10-16(11-9-15)18-13(3)4/h12-13,15-17H,5-11H2,1-4H3
InChIKeyMKPUDZZCMURMSO-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine?
The IUPAC name of N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine (CID 170569658) is N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine.
What is the SMILES notation for N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine?
The canonical SMILES for N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine is C=C(CCC1CCC(OC(C)C)CC1)NC(C)C.
What is the InChIKey of N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine?
The InChIKey is MKPUDZZCMURMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)17-14(5)6-7-15-8-10-16(11-9-15)18-13(3)4/h12-13,15-17H,5-11H2,1-4H3.
What are the key properties of N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine?
N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine has a molecular weight of 253.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(4-propan-2-yloxycyclohexyl)but-1-en-2-amine is sourced from PubChem (CID 170569658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).