N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine

C14H27N — CID 155485839

IUPACN,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine
SMILESCCCC(C)CC#CN(C)CCC(C)C
InChIInChI=1S/C14H27N/c1-6-8-14(4)9-7-11-15(5)12-10-13(2)3/h13-14H,6,8-10,12H2,1-5H3
InChIKeyLTAKBNSHBQLFPS-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.75
Rot. Bonds6

About N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine

N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine (PubChem CID 155485839) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine
PubChem CID155485839
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine
SMILESCCCC(C)CC#CN(C)CCC(C)C
InChIInChI=1S/C14H27N/c1-6-8-14(4)9-7-11-15(5)12-10-13(2)3/h13-14H,6,8-10,12H2,1-5H3
InChIKeyLTAKBNSHBQLFPS-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,11-dimethyltetradec-6-yne
CID 134995149
N,3-dimethyl-N-prop-1-ynylpentan-1-amine
CID 176700038
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methylpentane
CID 7892
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
(6S)-2,6,9-trimethyldec-3-yne
CID 159280612
ethane;2-methylpentane
CID 143713716

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine?
The IUPAC name of N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine (CID 155485839) is N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine.
What is the SMILES notation for N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine?
The canonical SMILES for N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine is CCCC(C)CC#CN(C)CCC(C)C.
What is the InChIKey of N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine?
The InChIKey is LTAKBNSHBQLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-8-14(4)9-7-11-15(5)12-10-13(2)3/h13-14H,6,8-10,12H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine?
N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(3-methylbutyl)hept-1-yn-1-amine is sourced from PubChem (CID 155485839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).