N,2,4-trimethylhex-1-en-1-amine

C9H19N — CID 126553170

IUPACN,2,4-trimethylhex-1-en-1-amine
SMILESCCC(C)CC(C)=CNC
InChIInChI=1S/C9H19N/c1-5-8(2)6-9(3)7-10-4/h7-8,10H,5-6H2,1-4H3
InChIKeyDZRNTHPDCQDTAW-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.55
Rot. Bonds4

About N,2,4-trimethylhex-1-en-1-amine

N,2,4-trimethylhex-1-en-1-amine (PubChem CID 126553170) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,2,4-trimethylhex-1-en-1-amine.

Molecular Properties

Compound NameN,2,4-trimethylhex-1-en-1-amine
PubChem CID126553170
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,2,4-trimethylhex-1-en-1-amine
SMILESCCC(C)CC(C)=CNC
InChIInChI=1S/C9H19N/c1-5-8(2)6-9(3)7-10-4/h7-8,10H,5-6H2,1-4H3
InChIKeyDZRNTHPDCQDTAW-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethylhex-1-en-1-amine?
The IUPAC name of N,2,4-trimethylhex-1-en-1-amine (CID 126553170) is N,2,4-trimethylhex-1-en-1-amine.
What is the SMILES notation for N,2,4-trimethylhex-1-en-1-amine?
The canonical SMILES for N,2,4-trimethylhex-1-en-1-amine is CCC(C)CC(C)=CNC.
What is the InChIKey of N,2,4-trimethylhex-1-en-1-amine?
The InChIKey is DZRNTHPDCQDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-8(2)6-9(3)7-10-4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N,2,4-trimethylhex-1-en-1-amine?
N,2,4-trimethylhex-1-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethylhex-1-en-1-amine is sourced from PubChem (CID 126553170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).