N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine

C16H33N — CID 139439239

IUPACN,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine
SMILESC=C(NC)C(CC(C)(C)CC)C(C)(CC)CC
InChIInChI=1S/C16H33N/c1-9-15(5,6)12-14(13(4)17-8)16(7,10-2)11-3/h14,17H,4,9-12H2,1-3,5-8H3
InChIKeyLYCLWBHHQNHKKS-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.99
Rot. Bonds8

About N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine

N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine (PubChem CID 139439239) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine
PubChem CID139439239
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine
SMILESC=C(NC)C(CC(C)(C)CC)C(C)(CC)CC
InChIInChI=1S/C16H33N/c1-9-15(5,6)12-14(13(4)17-8)16(7,10-2)11-3/h14,17H,4,9-12H2,1-3,5-8H3
InChIKeyLYCLWBHHQNHKKS-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine?
The IUPAC name of N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine (CID 139439239) is N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine.
What is the SMILES notation for N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine?
The canonical SMILES for N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine is C=C(NC)C(CC(C)(C)CC)C(C)(CC)CC.
What is the InChIKey of N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine?
The InChIKey is LYCLWBHHQNHKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-9-15(5,6)12-14(13(4)17-8)16(7,10-2)11-3/h14,17H,4,9-12H2,1-3,5-8H3.
What are the key properties of N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine?
N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-3-(3-methylpentan-3-yl)hept-1-en-2-amine is sourced from PubChem (CID 139439239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).