(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine

C12H28N2 — CID 163550671

IUPAC(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine
SMILESCCCN[C@@H](C)CCC(C)(CC)NC
InChIInChI=1S/C12H28N2/c1-6-10-14-11(3)8-9-12(4,7-2)13-5/h11,13-14H,6-10H2,1-5H3/t11-,12?/m0/s1
InChIKeyFIUGRRDSAJBIJD-PXYINDEMSA-N
MW200.37 g/mol
LogP2.54
Rot. Bonds8

About (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine

(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine (PubChem CID 163550671) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine.

Molecular Properties

Compound Name(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine
PubChem CID163550671
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine
SMILESCCCN[C@@H](C)CCC(C)(CC)NC
InChIInChI=1S/C12H28N2/c1-6-10-14-11(3)8-9-12(4,7-2)13-5/h11,13-14H,6-10H2,1-5H3/t11-,12?/m0/s1
InChIKeyFIUGRRDSAJBIJD-PXYINDEMSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
N-propylnonan-2-amine
CID 43129664
4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
2-methyl-4-(pentan-2-ylamino)butan-2-ol
CID 79361894
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
5-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652980
6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
CID 106665349
1-(3,3-dimethylbutoxy)-N-propylpropan-2-amine
CID 66232455
4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818

Frequently Asked Questions

What is the IUPAC name of (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine?
The IUPAC name of (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine (CID 163550671) is (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine.
What is the SMILES notation for (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine?
The canonical SMILES for (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine is CCCN[C@@H](C)CCC(C)(CC)NC.
What is the InChIKey of (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine?
The InChIKey is FIUGRRDSAJBIJD-PXYINDEMSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-10-14-11(3)8-9-12(4,7-2)13-5/h11,13-14H,6-10H2,1-5H3/t11-,12?/m0/s1.
What are the key properties of (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine?
(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine is sourced from PubChem (CID 163550671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).