(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine

C8H20N2 — CID 98041220

IUPAC(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
SMILESCN[C@@H](C)CC(C)(C)NC
InChIInChI=1S/C8H20N2/c1-7(9-4)6-8(2,3)10-5/h7,9-10H,6H2,1-5H3/t7-/m0/s1
InChIKeyMPWWFSNPRUYAHQ-ZETCQYMHSA-N
MW144.26 g/mol
LogP0.98
Rot. Bonds4

About (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine

(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine (PubChem CID 98041220) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine.

Molecular Properties

Compound Name(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
PubChem CID98041220
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
SMILESCN[C@@H](C)CC(C)(C)NC
InChIInChI=1S/C8H20N2/c1-7(9-4)6-8(2,3)10-5/h7,9-10H,6H2,1-5H3/t7-/m0/s1
InChIKeyMPWWFSNPRUYAHQ-ZETCQYMHSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N,4-dimethylpentan-2-amine
CID 88918834
4-iodo-N,2-dimethylpentan-2-amine
CID 88922055
4-N-ethyl-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 143372866
ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
CID 164863401
4,4-difluoro-N,2-dimethylbutan-2-amine
CID 134163311
4,4-difluoro-N,5,5-trimethylhexan-2-amine
CID 105438278
N,4,4,7,7-pentamethyloctan-2-amine
CID 64716367
2-N,4-N,6-N,4-tetramethylhept-1-ene-2,4,6-triamine
CID 174445290
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N,2-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 164863400
6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
CID 106732362
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010

Frequently Asked Questions

What is the IUPAC name of (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine?
The IUPAC name of (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine (CID 98041220) is (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine.
What is the SMILES notation for (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine?
The canonical SMILES for (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine is CN[C@@H](C)CC(C)(C)NC.
What is the InChIKey of (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine?
The InChIKey is MPWWFSNPRUYAHQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(9-4)6-8(2,3)10-5/h7,9-10H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine?
(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-N,4-N,2-trimethylpentane-2,4-diamine is sourced from PubChem (CID 98041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).