(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine

C10H24N2 — CID 51624582

IUPAC(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
SMILESCCN(CC)[C@H](CN)CC(C)C
InChIInChI=1S/C10H24N2/c1-5-12(6-2)10(8-11)7-9(3)4/h9-10H,5-8,11H2,1-4H3/t10-/m0/s1
InChIKeyVFIZLVLYYTWDDN-JTQLQIEISA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds6

About (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine

(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine (PubChem CID 51624582) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
PubChem CID51624582
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
SMILESCCN(CC)[C@H](CN)CC(C)C
InChIInChI=1S/C10H24N2/c1-5-12(6-2)10(8-11)7-9(3)4/h9-10H,5-8,11H2,1-4H3/t10-/m0/s1
InChIKeyVFIZLVLYYTWDDN-JTQLQIEISA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
N-[2-(diethylamino)-4-methylpentyl]acetohydrazide
CID 163853487
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675498
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
4-amino-N-[2-(diethylamino)-4-methylpentyl]pentanamide
CID 120564481
(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
CID 119842280
2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
CID 61441066
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 43312489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine (CID 51624582) is (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine is CCN(CC)[C@H](CN)CC(C)C.
What is the InChIKey of (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine?
The InChIKey is VFIZLVLYYTWDDN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H24N2/c1-5-12(6-2)10(8-11)7-9(3)4/h9-10H,5-8,11H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine?
(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine is sourced from PubChem (CID 51624582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).