N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen

C11H32N2 — CID 176578398

IUPACN,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
SMILESCC.CNCCCCCCCNC.[H][H].[H][H]
InChIInChI=1S/C9H22N2.C2H6.2H2/c1-10-8-6-4-3-5-7-9-11-2;1-2;;/h10-11H,3-9H2,1-2H3;1-2H3;2*1H
InChIKeyACVDWZJEJBQYOU-UHFFFAOYSA-N
MW192.39 g/mol
LogP2.89
Rot. Bonds8

About N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen

N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen (PubChem CID 176578398) has the molecular formula C11H32N2 and a molecular weight of 192.39 g/mol. Its IUPAC name is N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen.

Molecular Properties

Compound NameN,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
PubChem CID176578398
Molecular FormulaC11H32N2
Molecular Weight192.39 g/mol
Exact Mass192.26
IUPAC NameN,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
SMILESCC.CNCCCCCCCNC.[H][H].[H][H]
InChIInChI=1S/C9H22N2.C2H6.2H2/c1-10-8-6-4-3-5-7-9-11-2;1-2;;/h10-11H,3-9H2,1-2H3;1-2H3;2*1H
InChIKeyACVDWZJEJBQYOU-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-methyltriacontan-1-amine
CID 19840895
N,6-dimethylheptan-1-amine;ethane
CID 169159475
7-chloro-N-methylheptan-1-amine
CID 55301648
ethane;5-(methylamino)pentanoic acid
CID 178043439
ethane;8-(methylamino)octanal
CID 164864481
6-(methylamino)hexanoic acid
CID 4989372
ethane;9-(methylamino)nonanal
CID 164864319

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen?
The IUPAC name of N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen (CID 176578398) is N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen.
What is the SMILES notation for N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen?
The canonical SMILES for N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen is CC.CNCCCCCCCNC.[H][H].[H][H].
What is the InChIKey of N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen?
The InChIKey is ACVDWZJEJBQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C2H6.2H2/c1-10-8-6-4-3-5-7-9-11-2;1-2;;/h10-11H,3-9H2,1-2H3;1-2H3;2*1H.
What are the key properties of N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen?
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen has a molecular weight of 192.39 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen is sourced from PubChem (CID 176578398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).