6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine

C20H30N2 — CID 43829611

IUPAC6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine
SMILESC=CCN(CC=C)C(CC)C(N)(CC(=C)C)c1ccccc1
InChIInChI=1S/C20H30N2/c1-6-14-22(15-7-2)19(8-3)20(21,16-17(4)5)18-12-10-9-11-13-18/h6-7,9-13,19H,1-2,4,8,14-16,21H2,3,5H3
InChIKeyHFAKMWOKAALYHD-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.26
Rot. Bonds10

About 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine

6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine (PubChem CID 43829611) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine.

Molecular Properties

Compound Name6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine
PubChem CID43829611
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine
SMILESC=CCN(CC=C)C(CC)C(N)(CC(=C)C)c1ccccc1
InChIInChI=1S/C20H30N2/c1-6-14-22(15-7-2)19(8-3)20(21,16-17(4)5)18-12-10-9-11-13-18/h6-7,9-13,19H,1-2,4,8,14-16,21H2,3,5H3
InChIKeyHFAKMWOKAALYHD-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.26
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-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
CID 43829541
3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
CID 43830600
1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
CID 43829790
4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43829791
(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
CID 101191309
2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79265157
2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
CID 79284969
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
5-methyl-3-phenylhex-5-ene-1,3-diol
CID 90346624
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine?
The IUPAC name of 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine (CID 43829611) is 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine.
What is the SMILES notation for 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine?
The canonical SMILES for 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine is C=CCN(CC=C)C(CC)C(N)(CC(=C)C)c1ccccc1.
What is the InChIKey of 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine?
The InChIKey is HFAKMWOKAALYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-6-14-22(15-7-2)19(8-3)20(21,16-17(4)5)18-12-10-9-11-13-18/h6-7,9-13,19H,1-2,4,8,14-16,21H2,3,5H3.
What are the key properties of 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine?
6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine has a molecular weight of 298.47 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine is sourced from PubChem (CID 43829611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).