(2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine

C15H27N — CID 130316666

IUPAC(2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine
SMILESC/C=C\C1C[C@@H]1/C=C(/CN(C)CC)C(C)C
InChIInChI=1S/C15H27N/c1-6-8-13-9-14(13)10-15(12(3)4)11-16(5)7-2/h6,8,10,12-14H,7,9,11H2,1-5H3/b8-6-,15-10-/t13?,14-/m1/s1
InChIKeyORZQTVJSIZOWCY-NFNUUPOQSA-N
MW221.39 g/mol
LogP3.73
Rot. Bonds6

About (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine

(2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine (PubChem CID 130316666) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine
PubChem CID130316666
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine
SMILESC/C=C\C1C[C@@H]1/C=C(/CN(C)CC)C(C)C
InChIInChI=1S/C15H27N/c1-6-8-13-9-14(13)10-15(12(3)4)11-16(5)7-2/h6,8,10,12-14H,7,9,11H2,1-5H3/b8-6-,15-10-/t13?,14-/m1/s1
InChIKeyORZQTVJSIZOWCY-NFNUUPOQSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine with MolForge

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Related Compounds

4-Cyclopropyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 126720
N,N-diethyl-3,7-dimethylocta-4,6-dienylamine
CID 129777622
N,N-Diethyl-2-methyl-6-methyleneocta-2,7-diene-1-amine
CID 137331626
(2E)-N,N-diethyl-3,6-dimethylocta-2,7-dien-1-amine
CID 11435752
(2E)-N,N-diethyl-2,6-dimethylocta-2,7-dien-1-amine
CID 12807205
1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 20668452
(3Z)-3-ethylidene-1-methyl-4-prop-2-enylpiperidine
CID 23524296
Triethyl(4-methylhex-2-enyl)azanium
CID 57286176
1-Methyl-6-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 58179520
1,4-Dimethyl-2,3,4,7-tetrahydroazepine
CID 59015747
1,3-Dimethyl-2,3,4,7-tetrahydroazepine
CID 59015751
N-ethyl-N,2,4,8-tetramethylnona-4,7-dien-1-amine
CID 59033988

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine?
The IUPAC name of (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine (CID 130316666) is (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine.
What is the SMILES notation for (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine?
The canonical SMILES for (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine is C/C=C\C1C[C@@H]1/C=C(/CN(C)CC)C(C)C.
What is the InChIKey of (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine?
The InChIKey is ORZQTVJSIZOWCY-NFNUUPOQSA-N. The full InChI is InChI=1S/C15H27N/c1-6-8-13-9-14(13)10-15(12(3)4)11-16(5)7-2/h6,8,10,12-14H,7,9,11H2,1-5H3/b8-6-,15-10-/t13?,14-/m1/s1.
What are the key properties of (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine?
(2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-N,3-dimethyl-2-[[(1S)-2-[(Z)-prop-1-enyl]cyclopropyl]methylidene]butan-1-amine is sourced from PubChem (CID 130316666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).