N,N,2-trimethyl-N'-pentylpropanimidamide

C11H24N2 — CID 525910

IUPACN,N,2-trimethyl-N'-pentylpropanimidamide
SMILESCCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C11H24N2/c1-6-7-8-9-12-11(10(2)3)13(4)5/h10H,6-9H2,1-5H3/b12-11+
InChIKeyTTYVDSFXAAKXCM-VAWYXSNFSA-N
MW184.33 g/mol
LogP2.79
Rot. Bonds5

About N,N,2-trimethyl-N'-pentylpropanimidamide

N,N,2-trimethyl-N'-pentylpropanimidamide (PubChem CID 525910) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,N,2-trimethyl-N'-pentylpropanimidamide.

Molecular Properties

Compound NameN,N,2-trimethyl-N'-pentylpropanimidamide
PubChem CID525910
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,N,2-trimethyl-N'-pentylpropanimidamide
SMILESCCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C11H24N2/c1-6-7-8-9-12-11(10(2)3)13(4)5/h10H,6-9H2,1-5H3/b12-11+
InChIKeyTTYVDSFXAAKXCM-VAWYXSNFSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N,2-trimethyl-N'-pentylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
carbonic acid;N,N-dimethyl-N'-octylethanimidamide
CID 173151477
carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
1-ethyl-3-(3-methylbutan-2-yl)-2-pentylguanidine;hydroiodide
CID 111001608
N,N,N',2-tetramethylpropanimidamide
CID 22088148
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
2-dodecyliminopropanedioic acid
CID 10290398
1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine
CID 159110043

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-N'-pentylpropanimidamide?
The IUPAC name of N,N,2-trimethyl-N'-pentylpropanimidamide (CID 525910) is N,N,2-trimethyl-N'-pentylpropanimidamide.
What is the SMILES notation for N,N,2-trimethyl-N'-pentylpropanimidamide?
The canonical SMILES for N,N,2-trimethyl-N'-pentylpropanimidamide is CCCCC/N=C(\C(C)C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-N'-pentylpropanimidamide?
The InChIKey is TTYVDSFXAAKXCM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-7-8-9-12-11(10(2)3)13(4)5/h10H,6-9H2,1-5H3/b12-11+.
What are the key properties of N,N,2-trimethyl-N'-pentylpropanimidamide?
N,N,2-trimethyl-N'-pentylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-N'-pentylpropanimidamide is sourced from PubChem (CID 525910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).