(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine

C10H21N — CID 139397588

IUPAC(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)N(C(C)C)[C@@H](C)CC
InChIInChI=1S/C10H21N/c1-7-10(6)11(8(2)3)9(4)5/h9-10H,2,7H2,1,3-6H3/t10-/m0/s1
InChIKeyMBPJHCQAMAYFKS-JTQLQIEISA-N
MW155.28 g/mol
LogP3.03
Rot. Bonds4

About (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine

(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine (PubChem CID 139397588) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine
PubChem CID139397588
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)N(C(C)C)[C@@H](C)CC
InChIInChI=1S/C10H21N/c1-7-10(6)11(8(2)3)9(4)5/h9-10H,2,7H2,1,3-6H3/t10-/m0/s1
InChIKeyMBPJHCQAMAYFKS-JTQLQIEISA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine?
The IUPAC name of (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine (CID 139397588) is (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine.
What is the SMILES notation for (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine?
The canonical SMILES for (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine is C=C(C)N(C(C)C)[C@@H](C)CC.
What is the InChIKey of (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine?
The InChIKey is MBPJHCQAMAYFKS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N/c1-7-10(6)11(8(2)3)9(4)5/h9-10H,2,7H2,1,3-6H3/t10-/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine?
(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 155.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine is sourced from PubChem (CID 139397588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).