ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine

C12H27N — CID 177155599

IUPACethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
SMILESC=C(C)N(CCC)CC(C)C.CC
InChIInChI=1S/C10H21N.C2H6/c1-6-7-11(10(4)5)8-9(2)3;1-2/h9H,4,6-8H2,1-3,5H3;1-2H3
InChIKeyAXULABBRTLVCBX-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.91
Rot. Bonds5

About ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine

ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine (PubChem CID 177155599) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
PubChem CID177155599
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
SMILESC=C(C)N(CCC)CC(C)C.CC
InChIInChI=1S/C10H21N.C2H6/c1-6-7-11(10(4)5)8-9(2)3;1-2/h9H,4,6-8H2,1-3,5H3;1-2H3
InChIKeyAXULABBRTLVCBX-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-methylidene-N-prop-1-en-2-yl-N-propylbutan-1-amine
CID 167290517
(E,4Z)-3-chloro-4-[1-[2-methylpropyl(propyl)amino]ethenylimino]but-2-en-2-amine
CID 163367935
[2-methylpropyl(propyl)amino]methanol
CID 54162178
(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine
CID 88994532
N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
CID 134179329
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
tris(N,N-bis(2-methylpropyl)carbamodithioate);nickel(3+)
CID 14251923
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
ethane;N-(2-hydroxyethyl)-N-(2-methylpropyl)acetamide
CID 177048994
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
carbamothioic S-acid;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;S-ethyl N,N-dipropylcarbamothioate
CID 88676434

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine?
The IUPAC name of ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine (CID 177155599) is ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine?
The canonical SMILES for ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine is C=C(C)N(CCC)CC(C)C.CC.
What is the InChIKey of ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine?
The InChIKey is AXULABBRTLVCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-6-7-11(10(4)5)8-9(2)3;1-2/h9H,4,6-8H2,1-3,5H3;1-2H3.
What are the key properties of ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine?
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 177155599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).