N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine

C18H34N2 — CID 87370811

IUPACN-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine
SMILESC#CC(CCCCC)NC.C#CCN(C)C(C)CCC
InChIInChI=1S/2C9H17N/c1-5-7-9(3)10(4)8-6-2;1-4-6-7-8-9(5-2)10-3/h2,9H,5,7-8H2,1,3-4H3;2,9-10H,4,6-8H2,1,3H3
InChIKeyLJMGHDNCRBXCPM-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.53
Rot. Bonds9

About N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine

N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine (PubChem CID 87370811) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine.

Molecular Properties

Compound NameN-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine
PubChem CID87370811
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine
SMILESC#CC(CCCCC)NC.C#CCN(C)C(C)CCC
InChIInChI=1S/2C9H17N/c1-5-7-9(3)10(4)8-6-2;1-4-6-7-8-9(5-2)10-3/h2,9H,5,7-8H2,1,3-4H3;2,9-10H,4,6-8H2,1,3H3
InChIKeyLJMGHDNCRBXCPM-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-methyl-N-prop-2-ynylbutan-2-amine
CID 3072560
(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
CID 15688751
N-methyl-N-prop-2-ynylbutan-2-amine;hydrochloride
CID 3072559
(3R)-3-methyloct-1-yne
CID 59216928
1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054722
N-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
4-ethynyldodecane
CID 15570330
4-methylnon-1-yne
CID 20743131
(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride
CID 18667076

Frequently Asked Questions

What is the IUPAC name of N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine?
The IUPAC name of N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine (CID 87370811) is N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine.
What is the SMILES notation for N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine?
The canonical SMILES for N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine is C#CC(CCCCC)NC.C#CCN(C)C(C)CCC.
What is the InChIKey of N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine?
The InChIKey is LJMGHDNCRBXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N/c1-5-7-9(3)10(4)8-6-2;1-4-6-7-8-9(5-2)10-3/h2,9H,5,7-8H2,1,3-4H3;2,9-10H,4,6-8H2,1,3H3.
What are the key properties of N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine?
N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine has a molecular weight of 278.48 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-1-yn-3-amine;N-methyl-N-prop-2-ynylpentan-2-amine is sourced from PubChem (CID 87370811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).