4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine

C11H20N2 — CID 175213941

IUPAC4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine
SMILESC=CCN(CC=C)C(C)C=C(C)N
InChIInChI=1S/C11H20N2/c1-5-7-13(8-6-2)11(4)9-10(3)12/h5-6,9,11H,1-2,7-8,12H2,3-4H3
InChIKeyJWVGMJKCVDQEAC-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.91
Rot. Bonds6

About 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine

4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine (PubChem CID 175213941) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine
PubChem CID175213941
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine
SMILESC=CCN(CC=C)C(C)C=C(C)N
InChIInChI=1S/C11H20N2/c1-5-7-13(8-6-2)11(4)9-10(3)12/h5-6,9,11H,1-2,7-8,12H2,3-4H3
InChIKeyJWVGMJKCVDQEAC-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(prop-2-enyl)amino]propanamide
CID 82040435
N-propan-2-yl-N-prop-2-enylpropan-2-amine
CID 558736
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
(Z)-4-methylpent-2-en-2-amine
CID 154483305
N-(2-chloroethyl)-N-prop-2-enylpropan-2-amine;hydrochloride
CID 57349420
1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
CID 82854057
3-bromo-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 80680289
4-[bis(prop-2-enyl)amino]-2-methylhex-2-enoic acid
CID 173035693
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
CID 79285826
O-ethyl N-propan-2-yl-N-prop-2-enylcarbamothioate
CID 175747241
4-methylsulfanyl-N,N-bis(prop-2-enyl)butan-2-amine
CID 126500500

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine?
The IUPAC name of 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine (CID 175213941) is 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine?
The canonical SMILES for 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine is C=CCN(CC=C)C(C)C=C(C)N.
What is the InChIKey of 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine?
The InChIKey is JWVGMJKCVDQEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-13(8-6-2)11(4)9-10(3)12/h5-6,9,11H,1-2,7-8,12H2,3-4H3.
What are the key properties of 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine?
4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(prop-2-enyl)pent-2-ene-2,4-diamine is sourced from PubChem (CID 175213941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).