N-[(Z)-but-2-en-2-yl]butan-1-amine

C8H17N — CID 134894556

IUPACN-[(Z)-but-2-en-2-yl]butan-1-amine
SMILESC/C=C(/C)NCCCC
InChIInChI=1S/C8H17N/c1-4-6-7-9-8(3)5-2/h5,9H,4,6-7H2,1-3H3/b8-5-
InChIKeyWTHPMQSFSPASLP-YVMONPNESA-N
MW127.23 g/mol
LogP2.30
Rot. Bonds4

About N-[(Z)-but-2-en-2-yl]butan-1-amine

N-[(Z)-but-2-en-2-yl]butan-1-amine (PubChem CID 134894556) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]butan-1-amine
PubChem CID134894556
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-[(Z)-but-2-en-2-yl]butan-1-amine
SMILESC/C=C(/C)NCCCC
InChIInChI=1S/C8H17N/c1-4-6-7-9-8(3)5-2/h5,9H,4,6-7H2,1-3H3/b8-5-
InChIKeyWTHPMQSFSPASLP-YVMONPNESA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-fluoro-N-propylhepta-2,4,6-trien-2-amine
CID 143108225
(2E)-N-[(2S)-butan-2-yl]-4-fluoropenta-2,4-dien-2-amine
CID 163666155
5-fluoro-N-prop-1-en-2-ylpentan-1-amine
CID 169972047
N-prop-1-en-2-ylpropan-1-amine
CID 15394288
(E)-N-ethylbut-2-en-2-amine
CID 18734703
N'-prop-1-en-2-ylbutane-1,4-diamine
CID 20647369
N-prop-1-en-2-ylbutan-1-amine
CID 22888001
N-butylcyclobuten-1-amine
CID 23298660
N-ethylbut-2-en-2-amine
CID 54286073
N-but-1-en-2-ylbutan-1-amine
CID 55300658
(E)-N-propylbut-2-en-2-amine
CID 55300811
3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
CID 58530871

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]butan-1-amine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]butan-1-amine (CID 134894556) is N-[(Z)-but-2-en-2-yl]butan-1-amine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]butan-1-amine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]butan-1-amine is C/C=C(/C)NCCCC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]butan-1-amine?
The InChIKey is WTHPMQSFSPASLP-YVMONPNESA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-7-9-8(3)5-2/h5,9H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of N-[(Z)-but-2-en-2-yl]butan-1-amine?
N-[(Z)-but-2-en-2-yl]butan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]butan-1-amine is sourced from PubChem (CID 134894556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).