1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine

C19H28N2 — CID 43830997

IUPAC1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine
SMILESC=CCN(CC=C)C1Cc2ccccc2C1(N)CCCC
InChIInChI=1S/C19H28N2/c1-4-7-12-19(20)17-11-9-8-10-16(17)15-18(19)21(13-5-2)14-6-3/h5-6,8-11,18H,2-4,7,12-15,20H2,1H3
InChIKeyDMPZPNRCSMJMPY-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.63
Rot. Bonds8

About 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine

1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine (PubChem CID 43830997) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine.

Molecular Properties

Compound Name1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine
PubChem CID43830997
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine
SMILESC=CCN(CC=C)C1Cc2ccccc2C1(N)CCCC
InChIInChI=1S/C19H28N2/c1-4-7-12-19(20)17-11-9-8-10-16(17)15-18(19)21(13-5-2)14-6-3/h5-6,8-11,18H,2-4,7,12-15,20H2,1H3
InChIKeyDMPZPNRCSMJMPY-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.63
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

1-butyl-2-N,2-N-dipropyl-2,3-dihydroindene-1,2-diamine
CID 43830996
2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine
CID 43831011
2-N,2-N-dimethyl-1-propyl-2,3-dihydroindene-1,2-diamine
CID 43830978
2-N,2-N-dimethyl-1-(2-methylpropyl)-2,3-dihydroindene-1,2-diamine
CID 43831002
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
2-N,2-N-diethyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-naphthalene-1,2-diamine
CID 43830945
(3aS,8bR)-8b-but-3-enyl-2,2-dimethyl-3a,4-dihydroindeno[1,2-d][1,3]dioxole
CID 122215645
(1R,2R)-2-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine
CID 140604706
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
CID 43830917
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine?
The IUPAC name of 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine (CID 43830997) is 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine.
What is the SMILES notation for 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine?
The canonical SMILES for 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine is C=CCN(CC=C)C1Cc2ccccc2C1(N)CCCC.
What is the InChIKey of 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine?
The InChIKey is DMPZPNRCSMJMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-7-12-19(20)17-11-9-8-10-16(17)15-18(19)21(13-5-2)14-6-3/h5-6,8-11,18H,2-4,7,12-15,20H2,1H3.
What are the key properties of 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine?
1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine has a molecular weight of 284.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-N,2-N-bis(prop-2-enyl)-2,3-dihydroindene-1,2-diamine is sourced from PubChem (CID 43830997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).