N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine

C14H27N — CID 142817850

IUPACN-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
SMILESC#CCCN(CCC)CCCC(C)(C)C
InChIInChI=1S/C14H27N/c1-6-8-12-15(11-7-2)13-9-10-14(3,4)5/h1H,7-13H2,2-5H3
InChIKeyGTMGIZWRDPODDO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.55
Rot. Bonds7

About N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine

N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 142817850) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound NameN-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID142817850
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
SMILESC#CCCN(CCC)CCCC(C)(C)C
InChIInChI=1S/C14H27N/c1-6-8-12-15(11-7-2)13-9-10-14(3,4)5/h1H,7-13H2,2-5H3
InChIKeyGTMGIZWRDPODDO-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
CID 102996136
2-[pent-4-ynyl(propyl)amino]ethanol
CID 115872793
N-butyl-N,4,4-trimethylpentan-1-amine
CID 58300817
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-hex-5-ynyl-N,2-dimethylpentan-2-amine
CID 167034681
5-(dibutylamino)-2-methylpentan-2-ol
CID 18944366
2,2-dimethylhexane
CID 169424592
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N,N-dipropylpropan-1-amine;propane
CID 174574210
5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 65258077
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine (CID 142817850) is N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine is C#CCCN(CCC)CCCC(C)(C)C.
What is the InChIKey of N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is GTMGIZWRDPODDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-8-12-15(11-7-2)13-9-10-14(3,4)5/h1H,7-13H2,2-5H3.
What are the key properties of N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine?
N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 142817850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).