(2S)-3-methylbutan-2-amine;2-methylpropane

C9H23N — CID 161042679

IUPAC(2S)-3-methylbutan-2-amine;2-methylpropane
SMILESCC(C)C.CC(C)[C@H](C)N
InChIInChI=1S/C5H13N.C4H10/c1-4(2)5(3)6;1-4(2)3/h4-5H,6H2,1-3H3;4H,1-3H3/t5-;/m0./s1
InChIKeyUBBUNGCBRUDEGP-JEDNCBNOSA-N
MW145.29 g/mol
LogP2.65
Rot. Bonds1

About (2S)-3-methylbutan-2-amine;2-methylpropane

(2S)-3-methylbutan-2-amine;2-methylpropane (PubChem CID 161042679) has the molecular formula C9H23N and a molecular weight of 145.29 g/mol. Its IUPAC name is (2S)-3-methylbutan-2-amine;2-methylpropane.

Molecular Properties

Compound Name(2S)-3-methylbutan-2-amine;2-methylpropane
PubChem CID161042679
Molecular FormulaC9H23N
Molecular Weight145.29 g/mol
Exact Mass145.18
IUPAC Name(2S)-3-methylbutan-2-amine;2-methylpropane
SMILESCC(C)C.CC(C)[C@H](C)N
InChIInChI=1S/C5H13N.C4H10/c1-4(2)5(3)6;1-4(2)3/h4-5H,6H2,1-3H3;4H,1-3H3/t5-;/m0./s1
InChIKeyUBBUNGCBRUDEGP-JEDNCBNOSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-methylbutan-2-amine
CID 6999786
(3R)-butane-2,3-diamine
CID 172719520
formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen
CID 144509224
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
(2R)-propane-1,1,2-triamine
CID 164890165
2-methyl(213C)propane
CID 11240418
(1S,2S)-1-iodopropane-1,2-diamine
CID 87514719
nonane-2,3,4,5,6,7,8-heptamine
CID 58672678
(2R)-2-deuterio-3-methylbutan-2-amine
CID 122205559
(2S)-3-aminobutan-2-ol
CID 90804830
(2S,3R)-3-bromobutan-2-amine
CID 13495075
(2R)-3-aminobutan-2-ol
CID 141331265

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methylbutan-2-amine;2-methylpropane?
The IUPAC name of (2S)-3-methylbutan-2-amine;2-methylpropane (CID 161042679) is (2S)-3-methylbutan-2-amine;2-methylpropane.
What is the SMILES notation for (2S)-3-methylbutan-2-amine;2-methylpropane?
The canonical SMILES for (2S)-3-methylbutan-2-amine;2-methylpropane is CC(C)C.CC(C)[C@H](C)N.
What is the InChIKey of (2S)-3-methylbutan-2-amine;2-methylpropane?
The InChIKey is UBBUNGCBRUDEGP-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H13N.C4H10/c1-4(2)5(3)6;1-4(2)3/h4-5H,6H2,1-3H3;4H,1-3H3/t5-;/m0./s1.
What are the key properties of (2S)-3-methylbutan-2-amine;2-methylpropane?
(2S)-3-methylbutan-2-amine;2-methylpropane has a molecular weight of 145.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methylbutan-2-amine;2-methylpropane is sourced from PubChem (CID 161042679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).