N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide

C8H17N3 — CID 139418893

IUPACN-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N(C)CCCN
InChIInChI=1S/C8H17N3/c1-8(2)10-7-11(3)6-4-5-9/h7H,1,4-6,9H2,2-3H3/b10-7+
InChIKeyJODHSXFYUZSUSB-JXMROGBWSA-N
MW155.24 g/mol
LogP0.83
Rot. Bonds5

About N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide

N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 139418893) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide
PubChem CID139418893
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N(C)CCCN
InChIInChI=1S/C8H17N3/c1-8(2)10-7-11(3)6-4-5-9/h7H,1,4-6,9H2,2-3H3/b10-7+
InChIKeyJODHSXFYUZSUSB-JXMROGBWSA-N
XLogP0.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide (CID 139418893) is N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is JODHSXFYUZSUSB-JXMROGBWSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2)10-7-11(3)6-4-5-9/h7H,1,4-6,9H2,2-3H3/b10-7+.
What are the key properties of N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 155.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 139418893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).