N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine

C11H24N2 — CID 146420485

IUPACN'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
SMILESC=CC(CCCC)N(C)CN(C)C
InChIInChI=1S/C11H24N2/c1-6-8-9-11(7-2)13(5)10-12(3)4/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyACUUJZFDOREKJI-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.18
Rot. Bonds7

About N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine

N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine (PubChem CID 146420485) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine.

Molecular Properties

Compound NameN'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
PubChem CID146420485
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
SMILESC=CC(CCCC)N(C)CN(C)C
InChIInChI=1S/C11H24N2/c1-6-8-9-11(7-2)13(5)10-12(3)4/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyACUUJZFDOREKJI-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
CID 87378366
N,N-dimethyloct-1-en-3-amine
CID 123653053
N,N-dimethylhenicos-1-en-3-amine
CID 174322133
N,N-dimethylnonadec-1-en-3-amine
CID 174330581
N-methyl-N-pent-1-en-3-ylpentan-1-amine
CID 123466657
N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine
CID 142276729
3-ethylhept-1-ene
CID 12923943
hept-1-ene-3-thiol
CID 56998098
(E)-1-N,1-N,3-N,3-N-tetramethylhept-1-ene-1,3-diamine
CID 121218355
6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
CID 139697213
acetylene;3-methylhept-1-ene;propane
CID 144520771
N-ethenylhept-1-en-3-amine
CID 142241347

Frequently Asked Questions

What is the IUPAC name of N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine?
The IUPAC name of N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine (CID 146420485) is N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine.
What is the SMILES notation for N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine?
The canonical SMILES for N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine is C=CC(CCCC)N(C)CN(C)C.
What is the InChIKey of N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine?
The InChIKey is ACUUJZFDOREKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-8-9-11(7-2)13(5)10-12(3)4/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine?
N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine has a molecular weight of 184.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine is sourced from PubChem (CID 146420485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).