N',2-dimethylpentane-1,5-diamine;methanol;propane

C11H30N2O — CID 143231168

IUPACN',2-dimethylpentane-1,5-diamine;methanol;propane
SMILESCCC.CNCCCC(C)CN.CO
InChIInChI=1S/C7H18N2.C3H8.CH4O/c1-7(6-8)4-3-5-9-2;1-3-2;1-2/h7,9H,3-6,8H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyGXHLMVVLVAVFAL-UHFFFAOYSA-N
MW206.37 g/mol
LogP1.61
Rot. Bonds5

About N',2-dimethylpentane-1,5-diamine;methanol;propane

N',2-dimethylpentane-1,5-diamine;methanol;propane (PubChem CID 143231168) has the molecular formula C11H30N2O and a molecular weight of 206.37 g/mol. Its IUPAC name is N',2-dimethylpentane-1,5-diamine;methanol;propane.

Molecular Properties

Compound NameN',2-dimethylpentane-1,5-diamine;methanol;propane
PubChem CID143231168
Molecular FormulaC11H30N2O
Molecular Weight206.37 g/mol
Exact Mass206.24
IUPAC NameN',2-dimethylpentane-1,5-diamine;methanol;propane
SMILESCCC.CNCCCC(C)CN.CO
InChIInChI=1S/C7H18N2.C3H8.CH4O/c1-7(6-8)4-3-5-9-2;1-3-2;1-2/h7,9H,3-6,8H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyGXHLMVVLVAVFAL-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N',2-trimethylpentane-1,5-diamine
CID 18952778
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
2-methyltricosan-1-amine
CID 87547792
2-methylnonan-1-amine
CID 21396878
2-methyloctadecan-1-amine
CID 56980469
N,12-dimethylpentadecan-1-amine
CID 174486923
N-[2-methyl-5-(methylamino)pentyl]acetamide
CID 162925431
(2S)-3-methyl-6-(methylamino)hexan-2-ol
CID 172612880
6-ethyl-2-methyloctan-1-amine
CID 169188535
8-amino-7-methyloctan-1-ol
CID 139899445

Frequently Asked Questions

What is the IUPAC name of N',2-dimethylpentane-1,5-diamine;methanol;propane?
The IUPAC name of N',2-dimethylpentane-1,5-diamine;methanol;propane (CID 143231168) is N',2-dimethylpentane-1,5-diamine;methanol;propane.
What is the SMILES notation for N',2-dimethylpentane-1,5-diamine;methanol;propane?
The canonical SMILES for N',2-dimethylpentane-1,5-diamine;methanol;propane is CCC.CNCCCC(C)CN.CO.
What is the InChIKey of N',2-dimethylpentane-1,5-diamine;methanol;propane?
The InChIKey is GXHLMVVLVAVFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.C3H8.CH4O/c1-7(6-8)4-3-5-9-2;1-3-2;1-2/h7,9H,3-6,8H2,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of N',2-dimethylpentane-1,5-diamine;methanol;propane?
N',2-dimethylpentane-1,5-diamine;methanol;propane has a molecular weight of 206.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethylpentane-1,5-diamine;methanol;propane is sourced from PubChem (CID 143231168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).