3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine

C10H22N2 — CID 79413928

IUPAC3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C1CC1
InChIInChI=1S/C10H22N2/c1-8(7-11-3)9(2)12(4)10-5-6-10/h8-11H,5-7H2,1-4H3
InChIKeyKXKFMLZRRCGWSR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.32
Rot. Bonds5

About 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine

3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine (PubChem CID 79413928) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
PubChem CID79413928
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C1CC1
InChIInChI=1S/C10H22N2/c1-8(7-11-3)9(2)12(4)10-5-6-10/h8-11H,5-7H2,1-4H3
InChIKeyKXKFMLZRRCGWSR-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine (CID 79413928) is 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine is CNCC(C)C(C)N(C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
The InChIKey is KXKFMLZRRCGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(7-11-3)9(2)12(4)10-5-6-10/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 79413928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).