1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine

C13H24N2 — CID 65380981

IUPAC1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
SMILESC#CCNC1(CN)CCCC(CC)CC1
InChIInChI=1S/C13H24N2/c1-3-10-15-13(11-14)8-5-6-12(4-2)7-9-13/h1,12,15H,4-11,14H2,2H3
InChIKeyWOVFIQPBKQHULM-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.90
Rot. Bonds4

About 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine

1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine (PubChem CID 65380981) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
PubChem CID65380981
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
SMILESC#CCNC1(CN)CCCC(CC)CC1
InChIInChI=1S/C13H24N2/c1-3-10-15-13(11-14)8-5-6-12(4-2)7-9-13/h1,12,15H,4-11,14H2,2H3
InChIKeyWOVFIQPBKQHULM-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-but-3-ynyl-4-ethylcycloheptan-1-amine
CID 116641005
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
CID 79520652
1-(aminomethyl)-4-tert-butyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382191
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
CID 113464354
4-(aminomethyl)-N-prop-2-ynyloxan-4-amine
CID 65379972
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
4-(aminomethyl)-1-propyl-N-prop-2-ynylpiperidin-4-amine
CID 65381576
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine (CID 65380981) is 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine is C#CCNC1(CN)CCCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine?
The InChIKey is WOVFIQPBKQHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-10-15-13(11-14)8-5-6-12(4-2)7-9-13/h1,12,15H,4-11,14H2,2H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine?
1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine is sourced from PubChem (CID 65380981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).