3,3,4-trimethylheptan-4-amine

C10H23N — CID 139427507

IUPAC3,3,4-trimethylheptan-4-amine
SMILESCCCC(C)(N)C(C)(C)CC
InChIInChI=1S/C10H23N/c1-6-8-10(5,11)9(3,4)7-2/h6-8,11H2,1-5H3
InChIKeyMTAXGRYONYZHGE-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.94
Rot. Bonds4

About 3,3,4-trimethylheptan-4-amine

3,3,4-trimethylheptan-4-amine (PubChem CID 139427507) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3,3,4-trimethylheptan-4-amine.

Molecular Properties

Compound Name3,3,4-trimethylheptan-4-amine
PubChem CID139427507
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3,3,4-trimethylheptan-4-amine
SMILESCCCC(C)(N)C(C)(C)CC
InChIInChI=1S/C10H23N/c1-6-8-10(5,11)9(3,4)7-2/h6-8,11H2,1-5H3
InChIKeyMTAXGRYONYZHGE-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodopentan-2-amine
CID 144517487
hexane-3,3-diamine
CID 18331048
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
azane;3-ethylhexan-3-amine
CID 18676269
2-aminobutan-2-ol;propane
CID 174346487
3,3-dimethylhexane
CID 11233
3-chloro-3,4,4-trimethylheptane
CID 54446871
3,3,4,4,5,5-hexamethylheptane
CID 22899431
2-methylbutan-2-amine;propane
CID 91035545
2-methylbutan-2-amine;hydrate
CID 173000674
2-propylpentane-1,1,1,2-tetramine
CID 141463069
4-ethyl-4,5,5-trimethylnonane
CID 57492041

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethylheptan-4-amine?
The IUPAC name of 3,3,4-trimethylheptan-4-amine (CID 139427507) is 3,3,4-trimethylheptan-4-amine.
What is the SMILES notation for 3,3,4-trimethylheptan-4-amine?
The canonical SMILES for 3,3,4-trimethylheptan-4-amine is CCCC(C)(N)C(C)(C)CC.
What is the InChIKey of 3,3,4-trimethylheptan-4-amine?
The InChIKey is MTAXGRYONYZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-8-10(5,11)9(3,4)7-2/h6-8,11H2,1-5H3.
What are the key properties of 3,3,4-trimethylheptan-4-amine?
3,3,4-trimethylheptan-4-amine has a molecular weight of 157.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylheptan-4-amine is sourced from PubChem (CID 139427507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).