4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine

C13H30N2 — CID 62951717

IUPAC4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-8-15(11(2)3)12(10-14)9-13(4,5)6/h11-12H,7-10,14H2,1-6H3
InChIKeyHJBPPKKFKLHUCJ-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds6

About 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine

4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine (PubChem CID 62951717) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine
PubChem CID62951717
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)CC(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-8-15(11(2)3)12(10-14)9-13(4,5)6/h11-12H,7-10,14H2,1-6H3
InChIKeyHJBPPKKFKLHUCJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
The IUPAC name of 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine (CID 62951717) is 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
The canonical SMILES for 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine is CCCN(C(C)C)C(CN)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
The InChIKey is HJBPPKKFKLHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-8-15(11(2)3)12(10-14)9-13(4,5)6/h11-12H,7-10,14H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 62951717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).