N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine

C19H36N2 — CID 3732278

IUPACN',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine
SMILESCC1CC2=C(CC1CNCCCN(C)C)C(C)(C)CCC2
InChIInChI=1S/C19H36N2/c1-15-12-16-8-6-9-19(2,3)18(16)13-17(15)14-20-10-7-11-21(4)5/h15,17,20H,6-14H2,1-5H3
InChIKeyYKGNLEQTTOPKRJ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.08
Rot. Bonds6

About N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine

N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine (PubChem CID 3732278) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine
PubChem CID3732278
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine
SMILESCC1CC2=C(CC1CNCCCN(C)C)C(C)(C)CCC2
InChIInChI=1S/C19H36N2/c1-15-12-16-8-6-9-19(2,3)18(16)13-17(15)14-20-10-7-11-21(4)5/h15,17,20H,6-14H2,1-5H3
InChIKeyYKGNLEQTTOPKRJ-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine (CID 3732278) is N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine is CC1CC2=C(CC1CNCCCN(C)C)C(C)(C)CCC2.
What is the InChIKey of N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine?
The InChIKey is YKGNLEQTTOPKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-15-12-16-8-6-9-19(2,3)18(16)13-17(15)14-20-10-7-11-21(4)5/h15,17,20H,6-14H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 3732278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).