N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine

C11H26N2 — CID 63946060

IUPACN-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
SMILESCCCCC(CC)NCCN(C)C
InChIInChI=1S/C11H26N2/c1-5-7-8-11(6-2)12-9-10-13(3)4/h11-12H,5-10H2,1-4H3
InChIKeyNCHPKSHGHOAYIV-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds8

About N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine

N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine (PubChem CID 63946060) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
PubChem CID63946060
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
SMILESCCCCC(CC)NCCN(C)C
InChIInChI=1S/C11H26N2/c1-5-7-8-11(6-2)12-9-10-13(3)4/h11-12H,5-10H2,1-4H3
InChIKeyNCHPKSHGHOAYIV-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911
N-pentylheptan-3-amine
CID 63944300
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
N-tridecylpentadecan-3-amine
CID 88820168
5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine
CID 113291360
N-heptan-3-yl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63946266
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
CID 63503379
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
1-[2-(dimethylamino)ethylamino]heptan-1-ol
CID 147069081
N'-butan-2-yl-N-hexan-3-yl-N'-methylethane-1,2-diamine
CID 115905627
3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine
CID 130305440

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine (CID 63946060) is N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine is CCCCC(CC)NCCN(C)C.
What is the InChIKey of N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NCHPKSHGHOAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-7-8-11(6-2)12-9-10-13(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine?
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63946060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).