N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine

C15H30N2 — CID 146326665

IUPACN,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
SMILESC=C(CCC)N(C)CN(C)C(=C)CCC(C)C
InChIInChI=1S/C15H30N2/c1-8-9-14(4)16(6)12-17(7)15(5)11-10-13(2)3/h13H,4-5,8-12H2,1-3,6-7H3
InChIKeyQHWISAWSPLNGHQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.07
Rot. Bonds9

About N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine

N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine (PubChem CID 146326665) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
PubChem CID146326665
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
SMILESC=C(CCC)N(C)CN(C)C(=C)CCC(C)C
InChIInChI=1S/C15H30N2/c1-8-9-14(4)16(6)12-17(7)15(5)11-10-13(2)3/h13H,4-5,8-12H2,1-3,6-7H3
InChIKeyQHWISAWSPLNGHQ-UHFFFAOYSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
The IUPAC name of N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine (CID 146326665) is N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine.
What is the SMILES notation for N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
The canonical SMILES for N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine is C=C(CCC)N(C)CN(C)C(=C)CCC(C)C.
What is the InChIKey of N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
The InChIKey is QHWISAWSPLNGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-8-9-14(4)16(6)12-17(7)15(5)11-10-13(2)3/h13H,4-5,8-12H2,1-3,6-7H3.
What are the key properties of N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine has a molecular weight of 238.42 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine is sourced from PubChem (CID 146326665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).