1-N'-butyl-1-N'-methylpentane-1,1-diamine

C10H24N2 — CID 91621881

IUPAC1-N'-butyl-1-N'-methylpentane-1,1-diamine
SMILESCCCCC(N)N(C)CCCC
InChIInChI=1S/C10H24N2/c1-4-6-8-10(11)12(3)9-7-5-2/h10H,4-9,11H2,1-3H3
InChIKeyXGVOFRCTCPFCIW-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.19
Rot. Bonds7

About 1-N'-butyl-1-N'-methylpentane-1,1-diamine

1-N'-butyl-1-N'-methylpentane-1,1-diamine (PubChem CID 91621881) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N'-butyl-1-N'-methylpentane-1,1-diamine.

Molecular Properties

Compound Name1-N'-butyl-1-N'-methylpentane-1,1-diamine
PubChem CID91621881
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N'-butyl-1-N'-methylpentane-1,1-diamine
SMILESCCCCC(N)N(C)CCCC
InChIInChI=1S/C10H24N2/c1-4-6-8-10(11)12(3)9-7-5-2/h10H,4-9,11H2,1-3H3
InChIKeyXGVOFRCTCPFCIW-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.19
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'-dimethylpentane-1,1-diamine
CID 18183747
N-butyl-N-methylnonan-5-amine
CID 175231488
1-N',1-N'-dimethylhexane-1,1-diamine
CID 11857682
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
CID 22987584
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
N-(1-aminohexyl)-N-formylformamide
CID 88703874
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
2-[butyl(methyl)amino]propanamide
CID 60644986
icosane-5,10,16-triamine
CID 88870264
amino(tributyl)phosphanium chloride
CID 160955506
N-dodecyl-N-methyltridecan-2-amine
CID 87784054

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N'-methylpentane-1,1-diamine?
The IUPAC name of 1-N'-butyl-1-N'-methylpentane-1,1-diamine (CID 91621881) is 1-N'-butyl-1-N'-methylpentane-1,1-diamine.
What is the SMILES notation for 1-N'-butyl-1-N'-methylpentane-1,1-diamine?
The canonical SMILES for 1-N'-butyl-1-N'-methylpentane-1,1-diamine is CCCCC(N)N(C)CCCC.
What is the InChIKey of 1-N'-butyl-1-N'-methylpentane-1,1-diamine?
The InChIKey is XGVOFRCTCPFCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-6-8-10(11)12(3)9-7-5-2/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-N'-butyl-1-N'-methylpentane-1,1-diamine?
1-N'-butyl-1-N'-methylpentane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N'-methylpentane-1,1-diamine is sourced from PubChem (CID 91621881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).