2,5,5-trimethylheptan-4-amine

C10H23N — CID 115782662

IUPAC2,5,5-trimethylheptan-4-amine
SMILESCCC(C)(C)C(N)CC(C)C
InChIInChI=1S/C10H23N/c1-6-10(4,5)9(11)7-8(2)3/h8-9H,6-7,11H2,1-5H3
InChIKeySZIOZTJDLISEKD-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds4

About 2,5,5-trimethylheptan-4-amine

2,5,5-trimethylheptan-4-amine (PubChem CID 115782662) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 2,5,5-trimethylheptan-4-amine.

Molecular Properties

Compound Name2,5,5-trimethylheptan-4-amine
PubChem CID115782662
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name2,5,5-trimethylheptan-4-amine
SMILESCCC(C)(C)C(N)CC(C)C
InChIInChI=1S/C10H23N/c1-6-10(4,5)9(11)7-8(2)3/h8-9H,6-7,11H2,1-5H3
InChIKeySZIOZTJDLISEKD-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylheptan-4-amine?
The IUPAC name of 2,5,5-trimethylheptan-4-amine (CID 115782662) is 2,5,5-trimethylheptan-4-amine.
What is the SMILES notation for 2,5,5-trimethylheptan-4-amine?
The canonical SMILES for 2,5,5-trimethylheptan-4-amine is CCC(C)(C)C(N)CC(C)C.
What is the InChIKey of 2,5,5-trimethylheptan-4-amine?
The InChIKey is SZIOZTJDLISEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-10(4,5)9(11)7-8(2)3/h8-9H,6-7,11H2,1-5H3.
What are the key properties of 2,5,5-trimethylheptan-4-amine?
2,5,5-trimethylheptan-4-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylheptan-4-amine is sourced from PubChem (CID 115782662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).