1-N',1-N'-dimethylpentane-1,1-diamine

C7H18N2 — CID 18183747

IUPAC1-N',1-N'-dimethylpentane-1,1-diamine
SMILESCCCCC(N)N(C)C
InChIInChI=1S/C7H18N2/c1-4-5-6-7(8)9(2)3/h7H,4-6,8H2,1-3H3
InChIKeyKIFAWRXRABRNPC-UHFFFAOYSA-N
MW130.23 g/mol
LogP1.02
Rot. Bonds4

About 1-N',1-N'-dimethylpentane-1,1-diamine

1-N',1-N'-dimethylpentane-1,1-diamine (PubChem CID 18183747) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-N',1-N'-dimethylpentane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethylpentane-1,1-diamine
PubChem CID18183747
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-N',1-N'-dimethylpentane-1,1-diamine
SMILESCCCCC(N)N(C)C
InChIInChI=1S/C7H18N2/c1-4-5-6-7(8)9(2)3/h7H,4-6,8H2,1-3H3
InChIKeyKIFAWRXRABRNPC-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',1-N'-dimethylhexane-1,1-diamine
CID 11857682
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
icosane-5,10,16-triamine
CID 88870264
amino(tributyl)phosphanium chloride
CID 160955506
N,N-dimethylmethanamine;3-methylheptane
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N,N-dimethylicosan-5-amine
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2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
N,N-dimethylmethanamine;tridecane
CID 174432259
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
N-(1-aminohexyl)-N-formylformamide
CID 88703874

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethylpentane-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethylpentane-1,1-diamine (CID 18183747) is 1-N',1-N'-dimethylpentane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethylpentane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethylpentane-1,1-diamine is CCCCC(N)N(C)C.
What is the InChIKey of 1-N',1-N'-dimethylpentane-1,1-diamine?
The InChIKey is KIFAWRXRABRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-5-6-7(8)9(2)3/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-N',1-N'-dimethylpentane-1,1-diamine?
1-N',1-N'-dimethylpentane-1,1-diamine has a molecular weight of 130.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethylpentane-1,1-diamine is sourced from PubChem (CID 18183747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).