(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine

C9H18N2 — CID 170117762

IUPAC(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine
SMILESC/C=C\N(C)/C(=C\N)C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-11(4)9(7-10)8(2)3/h5-8H,10H2,1-4H3/b6-5-,9-7-
InChIKeyLWEYJWXNBRPBBL-LZWBOMALSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds3

About (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine

(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine (PubChem CID 170117762) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine
PubChem CID170117762
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine
SMILESC/C=C\N(C)/C(=C\N)C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-11(4)9(7-10)8(2)3/h5-8H,10H2,1-4H3/b6-5-,9-7-
InChIKeyLWEYJWXNBRPBBL-LZWBOMALSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine (CID 170117762) is (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine is C/C=C\N(C)/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine?
The InChIKey is LWEYJWXNBRPBBL-LZWBOMALSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-11(4)9(7-10)8(2)3/h5-8H,10H2,1-4H3/b6-5-,9-7-.
What are the key properties of (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine?
(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine is sourced from PubChem (CID 170117762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).